2-(4-bromo-5-methyl-2-pyridinyl)acetic acid

C8H8BrNO2 — CID 118799239

IUPAC2-(4-bromo-5-methyl-2-pyridinyl)acetic acid
SMILESCc1cnc(CC(=O)O)cc1Br
InChIInChI=1S/C8H8BrNO2/c1-5-4-10-6(2-7(5)9)3-8(11)12/h2,4H,3H2,1H3,(H,11,12)
InChIKeyOMQFEJPLXMEBIF-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.78
Rot. Bonds2

About 2-(4-bromo-5-methyl-2-pyridinyl)acetic acid

2-(4-bromo-5-methyl-2-pyridinyl)acetic acid (PubChem CID 118799239) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-2-pyridinyl)acetic acid
PubChem CID118799239
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name2-(4-bromo-5-methyl-2-pyridinyl)acetic acid
SMILESCc1cnc(CC(=O)O)cc1Br
InChIInChI=1S/C8H8BrNO2/c1-5-4-10-6(2-7(5)9)3-8(11)12/h2,4H,3H2,1H3,(H,11,12)
InChIKeyOMQFEJPLXMEBIF-UHFFFAOYSA-N
XLogP1.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chloro-5-methylphenyl)acetic acid
CID 121417177
2,4-dibromo-5-methylpyridine
CID 12643719
ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate
CID 133098224
2-(5-chloro-4-fluoro-2-pyridinyl)acetic acid
CID 130775275
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339399
3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid
CID 83901573
2-[7,10-bis(carboxymethyl)-3,6,11-trimethyltriphenylen-2-yl]acetic acid
CID 134370983
2-(5-acetyl-2-pyridinyl)acetic acid
CID 122715563
1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 81471898
2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetic acid
CID 118999569
(2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid
CID 131053081

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(4-bromo-5-methyl-2-pyridinyl)acetic acid (CID 118799239) is 2-(4-bromo-5-methyl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(4-bromo-5-methyl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(4-bromo-5-methyl-2-pyridinyl)acetic acid is Cc1cnc(CC(=O)O)cc1Br.
What is the InChIKey of 2-(4-bromo-5-methyl-2-pyridinyl)acetic acid?
The InChIKey is OMQFEJPLXMEBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c1-5-4-10-6(2-7(5)9)3-8(11)12/h2,4H,3H2,1H3,(H,11,12).
What are the key properties of 2-(4-bromo-5-methyl-2-pyridinyl)acetic acid?
2-(4-bromo-5-methyl-2-pyridinyl)acetic acid has a molecular weight of 230.06 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-2-pyridinyl)acetic acid is sourced from PubChem (CID 118799239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).